SCHEMBL5095607

SCHEMBL5095607

Cc1nc2ccc(OC(=O)N[C@H]3CCCc4ccccc4C3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
EPHX1 P07099 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
HSD11B1 P28845 2/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5025385 1.00 FAAH (0.46) FAAHEPHX1LMNAPOLBMAPT
SCHEMBL5138795 0.92 FAAH (0.46) FAAHEPHX1ALDH1A1RAB9AMTNR1A
SCHEMBL5026046 0.81 FAAH (0.53) FAAHEPHX1ALDH1A1RAB9A
SCHEMBL5025541 0.72 MTNR1A (0.45) FAAHEPHX1LMNAALDH1A1HPGD
SCHEMBL5025527 0.72 CNR1 (0.48) FAAHEPHX1LMNAMAPTALDH1A1
SCHEMBL5029692 0.72 MTNR1A (0.44) FAAHEPHX1ALDH1A1RAB9AMTNR1A
SCHEMBL5023892 0.71 MTNR1A (0.49) FAAHEPHX1LMNAALDH1A1HPGD
SCHEMBL3394417 0.71 MTNR1A (0.49) HSD11B1RAB9AMTNR1AMTNR1B
SCHEMBL3394652 0.71 MTNR1A (0.49) HSD11B1RAB9AMTNR1AMTNR1B
SCHEMBL14989181 0.70 FAAH (0.51) FAAHEPHX1POLBALDH1A1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362027-B1 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-21 EP claimed